CID 108291

54948-22-0

Structural Information

Molecular Formula
C13H17N4O2P
SMILES
C1CN1P(=O)(C=CNC(=O)NC2=CC=CC=C2)N3CC3
InChI
InChI=1S/C13H17N4O2P/c18-13(15-12-4-2-1-3-5-12)14-6-11-20(19,16-7-8-16)17-9-10-17/h1-6,11H,7-10H2,(H2,14,15,18)
InChIKey
LDSBLKAMJYFFIF-UHFFFAOYSA-N
Compound name
1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11620 179.5
[M+Na]+ 315.09814 184.7
[M-H]- 291.10164 184.9
[M+NH4]+ 310.14274 181.5
[M+K]+ 331.07208 180.3
[M+H-H2O]+ 275.10618 170.1
[M+HCOO]- 337.10712 202.9
[M+CH3COO]- 351.12277 212.2
[M+Na-2H]- 313.08359 180.3
[M]+ 292.10837 181.7
[M]- 292.10947 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.